SCHEMBL3778715

SCHEMBL3778715

O=C(CCc1n[nH]c2ccnc(NC3CCCCC3)c12)Nc1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LRRK2 Q5S007 4/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
PARP1 P09874 1/20 0.40
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
JAK2 O60674 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3771101 0.87 LRRK2 (0.42) LRRK2ALDH1A1JAK2
SCHEMBL13005993 0.86 LRRK2 (0.46) LRRK2ALDH1A1
SCHEMBL3769234 0.82 LRRK2 (0.50) RAB9ALRRK2ALDH1A1PARP1
SCHEMBL3772113 0.81 LRRK2 (0.49) RAB9ALRRK2ALDH1A1PARP1
SCHEMBL3762186 0.81 LRRK2 (0.52) LRRK2PARP1
SCHEMBL19566624 0.81 LRRK2 (0.44) RAB9ASMN1; SMN2LRRK2ALDH1A1
SCHEMBL3768574 0.81 ACKR3 (0.45) KMT2ANPC1LRRK2PARP1
SCHEMBL3799432 0.81 HTR2B (0.44) NPC1RAB9ASMN1; SMN2LRRK2ALDH1A1
SCHEMBL3768568 0.80 LRRK2 (0.52) LRRK2PARP1JAK2
SCHEMBL382240 0.80 TTK (0.46) NPC1RAB9ASMN1; SMN2LRRK2PARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 MEN1 904/4885KMT2A 3856/4885NPC1 230/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 MEN1 912/4885KMT2A 3840/4885NPC1 236/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.